NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 N 4.7032 8.2676 118.1346 52.8252 40.4636 175.2949 30 D 4.2202 7.4667 118.7343 56.1400 40.0050 177.0432 31 R 3.8510 7.8645 119.3227 57.6102 31.3155 180.0972 32 R 3.6539 7.6080 118.2930 59.8159 30.0487 178.4780 33 T 3.8390 7.7009 114.9935 66.6364 68.3461 176.3976 34 Q 3.8688 7.5008 120.7160 59.1840 28.9862 178.4359 35 I 3.5404 8.0892 121.1188 64.3222 37.0874 178.5083 36 I 3.5999 8.1655 123.4649 64.7597 36.8800 179.3326 37 K 3.9115 8.0991 124.5708 59.7971 31.6005 181.1476 38 V 3.6403 7.8378 119.8354 65.6235 31.3520 177.9864 39 A 3.3853 7.9223 120.6082 55.0985 18.2521 179.7281 40 T 3.8352 7.8201 114.2314 66.8687 68.5688 176.6705 41 E 3.9390 8.1553 120.4703 59.3995 29.5032 179.3193 42 L 3.9121 7.8106 120.2725 58.1256 42.1044 179.0260 43 F 4.6111 8.2392 118.2035 60.5162 38.5184 177.4178 44 R 3.9374 7.7999 117.7319 59.3809 30.0552 177.7895 45 E 4.0585 8.2476 118.8884 58.6940 29.8246 178.0314 46 K 4.2755 7.9658 117.9900 56.2657 33.2300 177.2444 47 G 4.1681 7.5400 105.7158 45.0949 0.0000 173.8202 48 Y 3.6446 8.8478 122.8552 60.6538 38.9011 178.1371 49 Y 4.0041 8.0385 114.9903 60.2193 38.2103 176.4929 50 A 4.3061 7.5741 120.9275 53.2204 19.2492 177.1262 51 T 4.6562 7.3477 112.5797 62.0578 69.9354 174.8800 52 S 4.7750 8.5207 120.6844 56.1666 67.0568 175.2176 53 L 3.9588 8.2326 120.5820 57.8255 41.2067 179.3904 54 D 4.3239 8.0262 118.6025 57.4740 40.8762 178.3776 55 D 4.3455 7.7055 118.0393 57.2969 40.6604 178.9641 56 I 3.5468 7.4731 120.1832 64.3145 37.1625 178.1985 57 A 4.0175 8.1113 121.7705 55.1886 18.0001 179.1503 58 D 4.2297 8.1294 116.3001 57.6250 41.1517 178.6902 59 R 3.9225 7.5105 116.6783 59.2494 30.1218 178.3711 60 I 3.8219 7.3010 109.4606 61.8075 38.0169 175.8233 61 G 3.8382 7.8384 109.1096 46.8883 0.0000 173.0640 62 F 4.8445 8.5146 116.7010 55.1607 41.8358 176.4866 63 T 4.3538 8.0008 113.2664 60.7971 70.6132 175.8879 64 K 3.8700 8.4098 121.3972 59.3190 31.9370 176.7696 65 P 4.6515 0.0000 0.0000 65.8386 30.9888 178.3845 66 A 4.0924 7.9018 118.4522 55.3121 18.5193 179.4867 67 I 4.1396 7.8069 117.9570 64.6174 36.9232 178.0001 68 Y 4.5978 7.3925 117.4901 60.6697 37.7636 177.6292 69 Y 4.1635 7.4881 119.1386 60.9389 38.8150 177.6523 70 Y 4.0524 7.7757 115.0750 58.6542 38.8681 176.0199 71 F 4.9656 8.7232 118.7300 55.9904 42.6057 175.4714 72 K 4.7704 9.0129 124.3503 57.4277 32.6905 176.8870 73 S 4.7908 7.6809 113.7585 55.7464 67.3962 175.1443 74 K 4.0857 8.6473 122.1425 60.0813 32.3152 179.1680 75 E 4.1064 8.2173 119.6606 59.4897 29.3704 178.7443 76 D 4.5752 8.0536 118.9205 57.2057 40.8177 179.0791 77 V 2.9126 7.5274 118.8766 65.6361 31.5146 177.8675 78 L 4.0060 8.1532 120.1903 57.9164 41.8458 178.7026 79 F 4.0681 8.4532 120.4579 61.2358 39.4018 176.7152 80 A 3.9348 7.9570 120.2240 55.3930 18.1405 179.6572 81 I 3.5872 7.6504 118.0071 64.5423 37.1337 178.9326 82 V 3.4939 7.6239 119.0118 66.0068 31.3039 177.6057 83 N 4.0826 8.2893 117.0952 56.3266 38.5429 176.8944 84 S 4.0034 7.9548 114.7035 61.4575 62.5727 176.1611 85 I 3.6567 7.6297 122.5355 64.3926 36.8445 178.6567 86 V 3.5964 8.1172 119.4766 65.8603 31.2345 177.6308 87 D 4.2602 8.2278 118.0041 57.3644 41.1348 178.1305 88 E 3.9219 8.3945 118.9667 59.3525 29.5683 179.0060 89 A 4.0617 7.9182 120.8080 55.3745 18.4621 179.5259 90 L 3.5944 7.8843 118.4814 57.9221 42.0277 179.1093 91 E 4.0254 7.9558 118.6850 59.4917 29.5098 179.4708 92 R 4.0266 8.1981 118.0156 58.8825 30.0307 179.0817 93 F 4.1792 8.1591 120.6111 61.6082 39.4726 176.9126 94 H 4.1144 8.3809 115.6370 58.8600 28.2907 177.5000 95 A 4.0130 7.7743 121.2453 55.3088 18.2850 179.5403 96 I 3.7420 7.3636 116.4978 64.5516 36.9996 178.6496 97 A 3.9012 7.6290 119.9508 54.4942 18.2698 178.5553 98 A 4.4569 8.3211 117.0395 54.1921 19.6253 178.2361 99 G 4.1263 7.5079 105.7626 42.1052 0.0000 171.6954 100 P 4.4434 0.0000 0.0000 62.3000 32.4908 175.5970 101 G 3.9376 8.5490 105.0746 44.7206 0.0000 174.0611 102 S 4.4108 8.8537 114.4169 57.0892 65.1852 173.4830 103 P 4.3021 0.0000 0.0000 65.9393 30.8942 179.2457 104 G 3.6835 8.2033 103.8713 47.5681 0.0000 175.5934 105 E 4.0192 8.0551 120.4281 59.3354 29.5730 179.3254 106 R 3.8760 8.1308 118.1715 59.1621 30.1631 178.9985 107 I 3.6784 8.1419 120.0706 64.6957 37.2183 177.8688 108 H 4.0895 8.0184 118.6351 59.3226 29.8032 177.0387 109 A 3.9672 8.1592 122.5768 55.2290 18.0802 179.5864 110 L 3.7719 8.1514 117.7182 57.8759 41.6210 179.8112 111 L 4.0819 7.9192 118.8850 57.6287 41.5579 179.7029 112 V 3.5494 7.6670 118.1318 65.8653 31.4455 177.6911 113 E 3.9386 8.0980 118.9118 59.5450 29.5582 178.1837 114 H 4.1995 8.6153 118.4149 59.7396 29.9662 177.3614 115 T 3.8167 7.9866 117.4375 66.5737 68.1392 176.7561 116 R 3.8547 8.0304 119.9598 59.8142 29.9167 179.2687 117 T 3.8739 7.8336 114.0201 66.4530 68.6271 176.6519 118 I 4.0771 7.4872 123.0133 64.0203 37.0064 178.5881 119 L 3.8845 7.6696 118.1136 57.2874 41.3928 178.9239 120 R 4.2421 7.5735 117.0942 56.9237 31.5884 175.7943 121 N 5.1008 7.6569 115.1511 51.9483 39.4321 175.6053 122 L 3.9709 7.8628 121.6813 58.2141 42.3300 179.2197 123 D 4.3291 8.0524 118.0241 57.1309 40.6875 178.5264 124 A 3.9315 7.8451 120.9790 55.1297 18.2947 179.3193 125 N 4.0432 7.9371 114.7695 56.6433 38.4655 177.8154 126 T 3.4642 7.5277 117.1257 66.3984 68.2796 176.4972 127 L 3.8890 7.6954 121.3736 57.8900 42.1351 178.5002 128 F 3.8403 8.0267 120.1416 60.8933 39.4097 175.9757 129 Y 4.8188 7.6934 115.4777 58.9288 38.4904 176.6468 130 N 4.7466 7.6013 115.7232 52.3690 37.2814 181.5477 *135 L 4.1957 7.0534 117.3107 55.4327 44.1595 176.9474 136 S 4.2834 7.5525 112.1301 57.1341 63.6982 172.7202 137 P 4.1950 0.0000 0.0000 66.1894 31.3199 178.3949 138 E 4.0043 8.0695 116.3344 59.4250 29.1370 179.6026 139 R 3.8250 7.6593 116.9999 59.0189 30.2102 178.3754 140 E 4.0376 8.0653 117.6519 59.4728 29.7671 179.0683 141 R 4.1278 8.3252 118.5043 59.2349 30.2005 179.3040 142 E 3.8810 7.9490 115.9047 56.9435 29.4653 178.5525 *144 R 4.3520 7.9736 118.4311 55.6440 32.5496 177.8725 145 K 4.0164 8.1556 118.4401 59.5185 32.1670 179.2147 146 R 3.9830 8.0550 117.9782 59.2291 30.0118 178.6099 147 E 4.1785 8.4806 117.9533 59.7748 29.5221 179.5208 148 R 4.0124 8.1427 117.8512 59.2415 30.1179 178.9255 149 E 3.9772 8.1134 117.7852 59.6530 29.2850 178.6830 150 Y 3.9404 7.4243 114.7002 61.6199 38.0402 178.9411 151 T 4.1071 7.6135 114.2452 66.8481 68.9475 176.3665 152 E 4.2319 8.3968 120.4476 59.2994 29.1816 179.4239 153 I 3.6422 7.7024 115.6639 62.8041 36.9263 177.6390 *155 Q 4.3919 7.8973 120.0459 56.2053 30.6585 177.7372 156 R 3.9809 7.9375 116.5909 59.3408 29.6275 178.9950 157 L 4.0406 7.8054 119.9104 58.0754 42.1758 178.3727 158 Y 3.9195 8.0902 119.1316 60.3179 38.8286 177.2372 159 A 4.0919 8.1693 121.8481 55.1118 18.3516 179.4897 160 E 3.9741 8.1266 116.9086 59.6143 29.6021 179.8839 161 G 3.4735 7.6759 105.2454 47.6054 0.0000 175.9700 162 V 3.6544 7.5812 119.9614 65.6961 31.3460 177.9682 163 A 3.9821 7.8150 120.9722 55.0633 18.3112 178.0632 164 T 4.2403 7.6225 103.7011 61.2684 68.9564 175.8154 165 G 3.8774 7.9194 108.9553 46.1490 0.0000 174.5907 166 E 4.0643 8.0209 120.8349 57.4981 30.0545 176.4591 167 L 4.6744 7.3121 116.9367 51.8190 44.4174 175.9466 168 L 3.9351 8.3763 122.9049 55.6942 42.2853 177.5932 169 D 4.7039 8.5080 126.0092 53.5209 39.4192 175.0752 170 V 4.5879 7.7058 115.7320 57.6954 36.1040 175.6538 171 D 4.4036 8.5584 120.2684 54.3549 42.2520 175.3853 172 P 4.1155 0.0000 0.0000 66.2166 31.5283 178.9012 173 T 3.8757 8.0665 114.4279 66.4519 68.3610 177.0428 174 V 3.5033 7.8352 119.4982 65.7438 31.6552 177.7386 175 A 3.7203 7.5656 120.3937 55.3775 18.1398 179.5557 176 T 3.7283 7.6184 113.8562 66.9636 68.5740 176.7733 177 A 4.0248 7.8300 122.0618 55.2643 18.3274 179.9180 178 T 3.8304 7.8267 114.3706 66.5873 68.4418 177.2508 179 L 4.0054 8.2582 121.2865 57.8307 41.6456 179.5726 180 L 4.0937 8.0679 119.0500 57.6911 41.5555 179.6215 181 G 3.6878 8.1530 105.5259 47.9725 0.0000 175.4599 182 A 4.1060 7.9965 121.8219 54.7429 18.8178 179.4030 183 A 4.1654 7.9475 119.2688 55.4409 18.5798 179.9270 184 I 3.8182 8.1615 118.7543 64.3425 37.2380 178.3342 185 W 4.2323 8.4852 129.3492 60.5275 30.3632 177.6543 186 T 2.7412 7.6769 108.9090 64.8563 67.4746 175.6500 187 Y 4.3076 7.7138 119.3337 59.7106 37.9167 178.0899 188 R 3.7537 6.8212 119.0608 56.8981 30.2451 177.0891 189 W 4.6232 7.2381 113.5458 56.8147 30.2681 175.6464 190 Y 3.7034 7.4712 121.0892 57.2748 38.5723 174.3579 191 D 4.4797 7.8620 126.6147 51.5650 42.1322 174.6679 192 P 3.8509 0.0000 0.0000 65.4088 31.4567 177.3454 193 E 4.2252 7.8906 114.9501 56.4049 29.3340 176.7701 194 G 3.9307 7.4996 109.4482 44.0896 0.0000 174.4543 195 R 4.0693 8.7156 115.6487 59.0891 29.0941 177.3460 196 L 4.4235 7.7679 117.9667 53.6224 42.6878 177.5858 197 S 4.6600 9.1077 118.5455 57.3697 65.6865 175.3601 198 A 3.7618 8.4925 123.0362 55.3556 18.0664 179.5419 199 D 4.3064 8.0349 116.9283 57.5300 40.9771 178.7090 200 E 4.0139 7.8616 118.2196 59.3394 29.4912 179.5997 201 V 3.7107 7.7230 117.9095 65.9144 31.5980 178.2950 202 V 3.5689 7.7343 118.0914 65.8309 31.3672 177.6033 203 E 3.9255 8.1014 118.8754 59.5080 29.4637 178.8868 204 Q 4.0385 8.1643 118.0029 58.9221 28.8052 178.6759 205 I 3.7894 7.9215 121.0476 64.8040 37.2572 178.6965 206 T 3.9786 7.9889 110.5075 64.7859 68.4332 176.4962 207 R 3.9898 8.3106 121.6805 58.7854 30.0398 178.2928 208 L 3.9640 8.3040 120.6311 58.3013 42.0025 178.9993 209 L 4.0546 7.7913 117.4822 57.5141 41.5645 179.1709 210 L 4.1200 7.6846 119.1036 58.2112 42.2799 178.2277 211 N 4.6498 7.9538 113.6560 52.4069 39.1671 176.3289 212 G 3.9870 7.9840 106.1016 45.0713 0.0000 172.8832 213 Y 4.3327 7.9414 115.7020 58.4648 38.6408 175.8657 214 R 4.2207 7.2333 121.0053 55.0409 30.9299 176.0109 215 R 4.1063 8.5556 123.0849 56.6176 30.0456 176.3830 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 29 N 8.27 4.70 0.00 2.87 2.94 0.00 0.00 6.75 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.47 4.22 0.00 2.91 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.86 3.85 0.00 1.40 1.55 0.00 3.35 0.00 0.00 3.61 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 32 R 7.61 3.65 0.00 1.75 1.90 0.00 3.22 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.74 0.00 33 T 7.70 3.84 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 34 Q 7.50 3.87 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 35 I 8.09 3.54 2.06 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.22 0.91 0.00 0.00 36 I 8.17 3.60 1.84 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.81 0.87 0.00 0.00 37 K 8.10 3.91 0.00 1.76 1.82 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 38 V 7.84 3.64 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.85 0.00 0.00 39 A 7.92 3.39 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.82 3.84 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 41 E 8.16 3.94 0.00 2.17 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.19 0.00 42 L 7.81 3.91 0.00 1.77 1.44 0.86 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.24 4.61 0.00 3.10 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.80 3.94 0.00 1.97 2.15 0.00 3.27 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 45 E 8.25 4.06 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 46 K 7.97 4.28 0.00 1.81 1.99 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.45 7.81 47 G 7.54 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.85 3.64 0.00 2.59 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.04 4.00 0.00 3.05 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.57 4.31 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.35 4.66 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 52 S 8.52 4.77 0.00 4.01 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.23 3.96 0.00 1.66 1.65 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.03 4.32 0.00 2.67 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 7.71 4.35 0.00 2.88 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.47 3.55 1.89 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.60 0.75 0.00 0.00 57 A 8.11 4.02 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.13 4.23 0.00 2.94 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 7.51 3.92 0.00 1.79 1.93 0.00 3.34 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.64 0.00 60 I 7.30 3.82 1.70 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.46 0.76 0.00 0.00 61 G 7.84 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 8.51 4.84 0.00 2.83 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.00 4.35 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 64 K 8.41 3.87 0.00 1.84 1.91 0.00 1.73 0.00 0.00 1.33 0.00 0.00 2.92 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.48 1.55 7.81 65 P 0.00 4.65 0.00 2.27 2.22 0.00 3.72 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 66 A 7.90 4.09 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.81 4.14 1.81 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.15 1.06 0.00 0.00 68 Y 7.39 4.60 0.00 3.25 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 7.49 4.16 0.00 2.63 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 7.78 4.05 0.00 2.94 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.72 4.97 0.00 3.07 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 9.01 4.77 0.00 1.86 2.00 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.63 1.67 7.81 73 S 7.68 4.79 0.00 4.35 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.65 4.09 0.00 1.98 2.09 0.00 1.33 0.00 0.00 1.60 0.00 0.00 2.13 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.45 1.39 7.81 75 E 8.22 4.11 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 76 D 8.05 4.58 0.00 3.07 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.53 2.91 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.64 0.00 0.00 78 L 8.15 4.01 0.00 1.93 1.79 0.66 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.45 4.07 0.00 3.19 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.96 3.93 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.65 3.59 2.01 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.65 0.91 0.00 0.00 82 V 7.62 3.49 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.90 0.00 0.00 83 N 8.29 4.08 0.00 1.90 2.39 0.00 0.00 6.89 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 7.95 4.00 0.00 3.97 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 7.63 3.66 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.65 0.94 0.00 0.00 86 V 8.12 3.60 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.08 0.00 0.00 87 D 8.23 4.26 0.00 2.97 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.39 3.92 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 89 A 7.92 4.06 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.88 3.59 0.00 1.53 1.76 0.71 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.96 4.03 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 92 R 8.20 4.03 0.00 2.11 2.04 0.00 3.15 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 93 F 8.16 4.18 0.00 3.26 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 H 8.38 4.11 0.00 3.44 3.34 0.00 5.88 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.77 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 7.36 3.74 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 152 E 8.40 4.23 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 153 I 7.70 3.64 2.26 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.92 0.93 0.00 0.00 *155 Q 7.90 4.39 0.00 2.35 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 156 R 7.94 3.98 0.00 1.93 2.02 0.00 3.15 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 157 L 7.81 4.04 0.00 2.01 1.71 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 158 Y 8.09 3.92 0.00 3.09 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 A 8.17 4.09 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 E 8.13 3.97 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 161 G 7.68 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 V 7.58 3.65 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.89 0.00 0.00 163 A 7.81 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 T 7.62 4.24 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 165 G 7.92 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 E 8.02 4.06 0.00 1.89 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 167 L 7.31 4.67 0.00 1.17 0.97 0.24 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 168 L 8.38 3.94 0.00 1.63 1.74 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 169 D 8.51 4.70 0.00 2.69 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 V 7.71 4.59 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.94 0.00 0.00 171 D 8.56 4.40 0.00 2.71 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 P 0.00 4.12 0.00 2.24 2.37 0.00 3.69 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.36 0.00 173 T 8.07 3.88 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 174 V 7.84 3.50 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.90 0.00 0.00 175 A 7.57 3.72 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 T 7.62 3.73 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 177 A 7.83 4.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 T 7.83 3.83 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 179 L 8.26 4.01 0.00 1.66 1.75 1.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 180 L 8.07 4.09 0.00 1.73 1.63 0.86 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 181 G 8.15 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 A 8.00 4.11 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 A 7.95 4.17 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 I 8.16 3.82 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.09 0.90 0.00 0.00 185 W 8.49 4.23 0.00 3.57 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 T 7.68 2.74 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 187 Y 7.71 4.31 0.00 3.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 R 6.82 3.75 0.00 0.67 1.28 0.00 2.42 0.00 0.00 2.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.50 0.00 189 W 7.24 4.62 0.00 3.42 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 Y 7.47 3.70 0.00 1.84 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 D 7.86 4.48 0.00 2.58 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 P 0.00 3.85 0.00 1.98 2.07 0.00 3.51 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.01 0.00 193 E 7.89 4.23 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.19 0.00 194 G 7.50 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 R 8.72 4.07 0.00 1.96 2.12 0.00 3.06 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 196 L 7.77 4.42 0.00 1.84 1.78 1.05 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 197 S 9.11 4.66 0.00 4.10 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 A 8.49 3.76 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 D 8.03 4.31 0.00 2.71 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 E 7.86 4.01 0.00 2.32 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 201 V 7.72 3.71 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.18 0.00 0.00 202 V 7.73 3.57 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.90 0.00 0.00 203 E 8.10 3.93 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 204 Q 8.16 4.04 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.57 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 205 I 7.92 3.79 2.02 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.07 1.01 0.00 0.00 206 T 7.99 3.98 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 207 R 8.31 3.99 0.00 2.06 2.16 0.00 3.12 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 208 L 8.30 3.96 0.00 1.98 1.90 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 209 L 7.79 4.05 0.00 1.74 1.78 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 210 L 7.68 4.12 0.00 1.80 1.81 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 211 N 7.95 4.65 0.00 2.77 2.85 0.00 0.00 7.24 9.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 G 7.98 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 Y 7.94 4.33 0.00 3.03 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 214 R 7.23 4.22 0.00 1.50 1.65 0.00 3.20 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 215 R 8.56 4.11 0.00 1.84 1.83 0.00 3.31 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 * Residues marked with a * may have inaccurate shift predictions.